bis(4-fluorophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: bis(4-fluorophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 2-[bis(4-fluorophenyl)methyl]-3-(4-ethoxyphenyl)isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid bis(4-fluorophenyl)methyl ester IUPAC Name: bis(4-fluorophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-[bis(4-fluorophenyl)methyl]-3-p-phenetyl-isothiourea Formula: C22H20F2N2OS MolecularWeight: 398.468806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20F2N2OS/c1-2-27-20-13-11-19(12-14-20)26-22(25)28-21(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16/h3-14,21H,2H2,1H3,(H2,25,26)